1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea

C11H16N2O2 — CID 94035272

IUPAC1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESC[C@H](CO)NC(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(8-14)13-11(15)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyGHGTZYMWSFHIAY-SECBINFHSA-N
MW208.26 g/mol
LogP0.87
Rot. Bonds4

About 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea

1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea (PubChem CID 94035272) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
PubChem CID94035272
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESC[C@H](CO)NC(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-9(8-14)13-11(15)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)/t9-/m1/s1
InChIKeyGHGTZYMWSFHIAY-SECBINFHSA-N
XLogP0.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea (CID 94035272) is 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea is C[C@H](CO)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea?
The InChIKey is GHGTZYMWSFHIAY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(8-14)13-11(15)12-7-10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3,(H2,12,13,15)/t9-/m1/s1.
What are the key properties of 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea?
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea has a molecular weight of 208.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 94035272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).